N-(4-dibenzofuran-2-ylphenyl)-N-[4-(1-naphthalen-1-ylnaphthalen-2-yl)phenyl]phenanthren-9-amine

C58H37NO — CID 170134327

IUPACN-(4-dibenzofuran-2-ylphenyl)-N-[4-(1-naphthalen-1-ylnaphthalen-2-yl)phenyl]phenanthren-9-amine
SMILESc1ccc2c(-c3c(-c4ccc(N(c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)c5cc6ccccc6c6ccccc56)cc4)ccc4ccccc34)cccc2c1
InChIInChI=1S/C58H37NO/c1-4-16-46-39(12-1)15-11-22-53(46)58-48-18-6-2-13-40(48)28-34-49(58)41-26-32-45(33-27-41)59(55-37-43-14-3-5-17-47(43)50-19-7-8-20-51(50)55)44-30-24-38(25-31-44)42-29-35-57-54(36-42)52-21-9-10-23-56(52)60-57/h1-37H
InChIKeyURYCQYLBGXOOMT-UHFFFAOYSA-N
MW763.94 g/mol
LogP16.67
Rot. Bonds6

About N-(4-dibenzofuran-2-ylphenyl)-N-[4-(1-naphthalen-1-ylnaphthalen-2-yl)phenyl]phenanthren-9-amine

N-(4-dibenzofuran-2-ylphenyl)-N-[4-(1-naphthalen-1-ylnaphthalen-2-yl)phenyl]phenanthren-9-amine (PubChem CID 170134327) has the molecular formula C58H37NO and a molecular weight of 763.94 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-N-[4-(1-naphthalen-1-ylnaphthalen-2-yl)phenyl]phenanthren-9-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-N-[4-(1-naphthalen-1-ylnaphthalen-2-yl)phenyl]phenanthren-9-amine
PubChem CID170134327
Molecular FormulaC58H37NO
Molecular Weight763.94 g/mol
Exact Mass763.29
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-N-[4-(1-naphthalen-1-ylnaphthalen-2-yl)phenyl]phenanthren-9-amine
SMILESc1ccc2c(-c3c(-c4ccc(N(c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)c5cc6ccccc6c6ccccc56)cc4)ccc4ccccc34)cccc2c1
InChIInChI=1S/C58H37NO/c1-4-16-46-39(12-1)15-11-22-53(46)58-48-18-6-2-13-40(48)28-34-49(58)41-26-32-45(33-27-41)59(55-37-43-14-3-5-17-47(43)50-19-7-8-20-51(50)55)44-30-24-38(25-31-44)42-29-35-57-54(36-42)52-21-9-10-23-56(52)60-57/h1-37H
InChIKeyURYCQYLBGXOOMT-UHFFFAOYSA-N
XLogP16.67
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.94
LogP ≤ 516.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-9-amine
CID 170134082
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 170133778
N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]phenanthren-9-amine
CID 170133817
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)phenanthren-9-amine
CID 169157836
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 88567900
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 170134332
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(2-naphthalen-1-ylnaphthalen-1-yl)phenyl]phenanthren-9-amine
CID 170134279
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 170134121
N-(4-dibenzofuran-2-ylphenyl)-2-phenanthren-9-yl-3-phenyl-N-(4-phenylphenyl)aniline
CID 177274561
N-[4-(2-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenanthren-9-amine
CID 170133970
N-(4-dibenzofuran-2-ylphenyl)-5-phenanthren-1-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167235297
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 170137599

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-[4-(1-naphthalen-1-ylnaphthalen-2-yl)phenyl]phenanthren-9-amine?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-[4-(1-naphthalen-1-ylnaphthalen-2-yl)phenyl]phenanthren-9-amine (CID 170134327) is N-(4-dibenzofuran-2-ylphenyl)-N-[4-(1-naphthalen-1-ylnaphthalen-2-yl)phenyl]phenanthren-9-amine.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-N-[4-(1-naphthalen-1-ylnaphthalen-2-yl)phenyl]phenanthren-9-amine?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-N-[4-(1-naphthalen-1-ylnaphthalen-2-yl)phenyl]phenanthren-9-amine is c1ccc2c(-c3c(-c4ccc(N(c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)c5cc6ccccc6c6ccccc56)cc4)ccc4ccccc34)cccc2c1.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-N-[4-(1-naphthalen-1-ylnaphthalen-2-yl)phenyl]phenanthren-9-amine?
The InChIKey is URYCQYLBGXOOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NO/c1-4-16-46-39(12-1)15-11-22-53(46)58-48-18-6-2-13-40(48)28-34-49(58)41-26-32-45(33-27-41)59(55-37-43-14-3-5-17-47(43)50-19-7-8-20-51(50)55)44-30-24-38(25-31-44)42-29-35-57-54(36-42)52-21-9-10-23-56(52)60-57/h1-37H.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-N-[4-(1-naphthalen-1-ylnaphthalen-2-yl)phenyl]phenanthren-9-amine?
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(1-naphthalen-1-ylnaphthalen-2-yl)phenyl]phenanthren-9-amine has a molecular weight of 763.94 g/mol, XLogP of 16.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-2-ylphenyl)-N-[4-(1-naphthalen-1-ylnaphthalen-2-yl)phenyl]phenanthren-9-amine is sourced from PubChem (CID 170134327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).